4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one

C12H21N3O2 — CID 65366267

IUPAC4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)CNC2CCCC2)CCCN1
InChIInChI=1S/C12H21N3O2/c16-11-9-15(7-3-6-13-11)12(17)8-14-10-4-1-2-5-10/h10,14H,1-9H2,(H,13,16)
InChIKeyJZLXLCAZCHIOIY-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds3

About 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one

4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one (PubChem CID 65366267) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
PubChem CID65366267
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)CNC2CCCC2)CCCN1
InChIInChI=1S/C12H21N3O2/c16-11-9-15(7-3-6-13-11)12(17)8-14-10-4-1-2-5-10/h10,14H,1-9H2,(H,13,16)
InChIKeyJZLXLCAZCHIOIY-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one (CID 65366267) is 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one is O=C1CN(C(=O)CNC2CCCC2)CCCN1.
What is the InChIKey of 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one?
The InChIKey is JZLXLCAZCHIOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11-9-15(7-3-6-13-11)12(17)8-14-10-4-1-2-5-10/h10,14H,1-9H2,(H,13,16).
What are the key properties of 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one?
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one is sourced from PubChem (CID 65366267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).